Den 2019-08-16 kl. 06:45, skrev Apramita Chand:
Dear Gromacs users,
I am trying to use bicarbonate ions in my simulations employing
AMBER99SBILDN ff in GROMACS 5.1.4. For that I've used the antechamber and
acpype utilities to generate the parameters for Bicarbonate with RESP
charges at HF/6-31G*
Dear Gromacs users,
I am trying to use bicarbonate ions in my simulations employing
AMBER99SBILDN ff in GROMACS 5.1.4. For that I've used the antechamber and
acpype utilities to generate the parameters for Bicarbonate with RESP
charges at HF/6-31G* level of theory.
No matter how many times I change
